5-[[3-(1,4-diazepan-1-yl)pyridin-2-yl]methyl]cyclohexa-2,4-diene-1-thione

Systemtic Name: 5-[[3-(1,4-diazepan-1-yl)pyridin-2-yl]methyl]cyclohexa-2,4-diene-1-thione Openeye Name: 5-[[3-(1,4-diazepan-1-yl)-2-pyridyl]methyl]cyclohexa-2,4-diene-1-thione CAS Name: 5-[[3-(1,4-diazepan-1-yl)-2-pyridinyl]methyl]-1-cyclohexa-2,4-dienethione IUPAC Name: 5-[[3-(1,4-diazepan-1-yl)pyridin-2-yl]methyl]cyclohexa-2,4-diene-1-thione Traditional Name: 5-[[3-(1,4-diazepan-1-yl)-2-pyridyl]methyl]cyclohexa-2,4-diene-1-thione Formula: C17H21N3S MolecularWeight: 299.43374

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C2=C(N=CC=C2)CC3=CC=CC(=S)C3

Isomeric SMILES

C1CNCCN(C1)C2=C(N=CC=C2)CC3=CC=CC(=S)C3

InChI

InChI=1S/C17H21N3S/c21-15-5-1-4-14(12-15)13-16-17(6-2-8-19-16)20-10-3-7-18-9-11-20/h1-2,4-6,8,18H,3,7,9-13H2